Structure of PDB 2xzc Chain L Binding Site BS01

Receptor Information
>2xzc Chain L (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIY
DNNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSSLNPVF
GGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQW
KVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTH
QGLSSPVTKSFNRGE
Ligand information
Ligand IDXOP
InChIInChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+
InChIKeyDUXLOXDDMDLSLH-ITGUQSILSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O
ACDLabs 12.01OP(OC2CC1N(C)C(CC1)C2)c3ccccc3
CACTVS 3.352CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3
CACTVS 3.352CN1[C@@H]2CC[C@H]1CC(C2)O[P](O)(=O)c3ccccc3
OpenEye OEToolkits 1.6.1CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O
FormulaC14 H20 N O3 P
Name8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE
ChEMBL
DrugBank
ZINCZINC000263620378
PDB chain2xzc Chain L Residue 1217 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2xzc Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		Y37 G90 T91 W92 P98 F100
Binding residue
(residue number reindexed from 1)		Y37 G90 T91 W92 P98 F100
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.64,Kd=2.3uM
External links